N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

C27H30N4O5 — CID 651891

IUPACN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C27H30N4O5/c1-35-22-10-5-9-21(17-22)31(24(32)18-29-26(33)23-11-6-16-36-23)25(19-12-14-28-15-13-19)27(34)30-20-7-3-2-4-8-20/h5-6,9-17,20,25H,2-4,7-8,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyMOZBQPPURPVPRS-UHFFFAOYSA-N
MW490.56 g/mol
LogP3.64
Rot. Bonds9

About N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide

N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (PubChem CID 651891) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
PubChem CID651891
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC NameN-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide
SMILESCOc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1
InChIInChI=1S/C27H30N4O5/c1-35-22-10-5-9-21(17-22)31(24(32)18-29-26(33)23-11-6-16-36-23)25(19-12-14-28-15-13-19)27(34)30-20-7-3-2-4-8-20/h5-6,9-17,20,25H,2-4,7-8,18H2,1H3,(H,29,33)(H,30,34)
InChIKeyMOZBQPPURPVPRS-UHFFFAOYSA-N
XLogP3.64
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide (CID 651891) is N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is COc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccncc2)c1.
What is the InChIKey of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
The InChIKey is MOZBQPPURPVPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-35-22-10-5-9-21(17-22)31(24(32)18-29-26(33)23-11-6-16-36-23)25(19-12-14-28-15-13-19)27(34)30-20-7-3-2-4-8-20/h5-6,9-17,20,25H,2-4,7-8,18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide?
N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide has a molecular weight of 490.56 g/mol, XLogP of 3.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-3-methoxyanilino)-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 651891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).